CAS 1335053-03-6

3-Bromo-5-[(phenylmethyl)thio]pyridine

Description:

3-Bromo-5-[(phenylmethyl)thio]pyridine is an organic compound characterized by its pyridine ring, which is a six-membered aromatic heterocycle containing one nitrogen atom. The presence of a bromine atom at the 3-position and a phenylmethylthio group at the 5-position contributes to its unique chemical properties. This compound is likely to exhibit moderate to high lipophilicity due to the aromatic phenyl group, which can influence its solubility in organic solvents. The bromine substituent may impart reactivity, making it a potential candidate for further chemical transformations, such as nucleophilic substitutions or coupling reactions. Additionally, the thioether functional group can participate in various chemical reactions, including oxidation and substitution. The compound's structure suggests potential applications in medicinal chemistry, particularly in the development of pharmaceuticals, as modifications to the pyridine ring can lead to compounds with diverse biological activities. Safety and handling precautions should be observed due to the presence of bromine, which can be hazardous.

Formula: C₁₂H₁₀BrNS

InChI: InChI=1S/C12H10BrNS/c13-11-6-12(8-14-7-11)15-9-10-4-2-1-3-5-10/h1-8H,9H2

InChI key: InChIKey=YSBQTJKHCGPUHT-UHFFFAOYSA-N

SMILES: S(CC1=CC=CC=C1)C=2C=C(Br)C=NC2

Synonyms:

• Pyridine, 3-bromo-5-[(phenylmethyl)thio]-
• 3-Bromo-5-[(phenylmethyl)thio]pyridine